[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid

C12H21N5O5 — CID 70395152

IUPAC[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid
SMILESCNC(=O)O.Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
InChIInChI=1S/C10H16N4O3.C2H5NO2/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3;1-3-2(4)5/h6H,1-5H3;3H,1H3,(H,4,5)
InChIKeyCIYMTFZSDJFUFN-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.67
Rot. Bonds1

About [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid

[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid (PubChem CID 70395152) has the molecular formula C12H21N5O5 and a molecular weight of 315.33 g/mol. Its IUPAC name is [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid.

Molecular Properties

Compound Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid
PubChem CID70395152
Molecular FormulaC12H21N5O5
Molecular Weight315.33 g/mol
Exact Mass315.15
IUPAC Name[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid
SMILESCNC(=O)O.Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
InChIInChI=1S/C10H16N4O3.C2H5NO2/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3;1-3-2(4)5/h6H,1-5H3;3H,1H3,(H,4,5)
InChIKeyCIYMTFZSDJFUFN-UHFFFAOYSA-N
XLogP0.67
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid?
The IUPAC name of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid (CID 70395152) is [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid.
What is the SMILES notation for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid?
The canonical SMILES for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid is CNC(=O)O.Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C.
What is the InChIKey of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid?
The InChIKey is CIYMTFZSDJFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3.C2H5NO2/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3;1-3-2(4)5/h6H,1-5H3;3H,1H3,(H,4,5).
What are the key properties of [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid?
[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid has a molecular weight of 315.33 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate;methylcarbamic acid is sourced from PubChem (CID 70395152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).